REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2k73_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRFLNQASQ GRGAWLLMAF TALALELTAL WFQHVMLLKP cVLSIYERAA DATA SEQUENCE LFGVLGAALI GAIAPKTPLR YVAMVIWLYS AFRGVQLTYE HTMLQLYPSP DATA SEQUENCE FATSDFMVRF PEWLPLDKWV PQVFVASGDc AERQWDFLGL EMPQWLLGIF DATA SEQUENCE IAYLIVAVLV VISQPFKAKK RDLFGRGHHH HHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.504 4.480 0.040 0.000 0.227 1 M C 0.000 176.360 176.300 0.101 0.000 1.140 1 M CA 0.000 55.335 55.300 0.059 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 L N 1.137 122.394 121.223 0.057 0.000 1.994 2 L HA -0.154 4.204 4.340 0.030 0.000 0.208 2 L C 1.740 178.634 176.870 0.040 0.000 1.071 2 L CA 2.943 57.805 54.840 0.036 0.000 0.745 2 L CB -0.862 41.205 42.059 0.013 0.000 0.892 2 L HN 0.054 8.308 8.230 0.039 0.000 0.431 3 R N -1.712 118.819 120.500 0.051 0.000 2.119 3 R HA -0.466 3.883 4.340 0.016 0.000 0.246 3 R C 2.180 178.517 176.300 0.062 0.000 1.146 3 R CA 3.415 59.543 56.100 0.047 0.000 0.962 3 R CB -0.509 29.826 30.300 0.058 0.000 0.863 3 R HN 0.272 8.571 8.270 0.049 0.000 0.442 4 F N -1.672 118.256 119.950 -0.036 0.000 2.134 4 F HA -0.252 4.251 4.527 -0.039 0.000 0.299 4 F C 0.947 176.710 175.800 -0.062 0.000 1.097 4 F CA 2.369 60.343 58.000 -0.044 0.000 1.264 4 F CB -0.322 38.653 39.000 -0.041 0.000 1.001 4 F HN -0.225 8.127 8.300 0.241 0.093 0.479 5 L N -0.687 120.484 121.223 -0.086 0.000 2.051 5 L HA -0.529 3.660 4.340 -0.251 0.000 0.214 5 L C 1.941 178.638 176.870 -0.288 0.000 1.076 5 L CA 3.199 57.920 54.840 -0.200 0.000 0.758 5 L CB -0.491 41.515 42.059 -0.088 0.000 0.890 5 L HN -0.042 8.139 8.230 0.083 0.099 0.433 6 N N -2.504 116.074 118.700 -0.203 0.000 2.309 6 N HA -0.287 4.352 4.740 -0.169 0.000 0.182 6 N C 2.084 177.456 175.510 -0.230 0.000 1.018 6 N CA 2.616 55.561 53.050 -0.175 0.000 0.876 6 N CB -0.087 38.344 38.487 -0.094 0.000 0.972 6 N HN -0.407 7.794 8.380 -0.134 0.099 0.434 7 Q N 0.411 120.013 119.800 -0.330 0.000 2.020 7 Q HA -0.190 4.022 4.340 -0.214 0.000 0.198 7 Q C 1.052 176.764 176.000 -0.479 0.000 0.974 7 Q CA 2.622 58.208 55.803 -0.362 0.000 0.829 7 Q CB -0.017 28.497 28.738 -0.373 0.000 0.894 7 Q HN -0.139 7.766 8.270 -0.347 0.157 0.433 8 A N -2.957 119.389 122.820 -0.790 0.000 1.972 8 A HA -0.141 3.874 4.320 -0.508 0.000 0.219 8 A C 2.811 180.110 177.584 -0.475 0.000 1.169 8 A CA 2.353 54.009 52.037 -0.635 0.000 0.635 8 A CB -0.113 18.463 19.000 -0.708 0.000 0.810 8 A HN 0.314 7.710 8.150 -1.083 0.105 0.446 9 S N -2.976 112.434 115.700 -0.484 0.000 2.395 9 S HA -0.316 3.643 4.470 -0.853 0.000 0.225 9 S C 1.237 175.596 174.600 -0.402 0.000 1.027 9 S CA 2.670 60.508 58.200 -0.603 0.000 0.965 9 S CB 0.226 63.125 63.200 -0.501 0.000 0.812 9 S HN 0.004 8.019 8.310 -0.463 0.017 0.482 10 Q N -0.369 119.326 119.800 -0.175 0.000 2.515 10 Q HA -0.084 4.365 4.340 0.181 0.000 0.212 10 Q C 0.224 176.248 176.000 0.040 0.000 0.970 10 Q CA 0.235 56.048 55.803 0.017 0.000 0.941 10 Q CB -0.309 28.411 28.738 -0.031 0.000 0.998 10 Q HN -0.514 7.433 8.270 -0.233 0.183 0.518 11 G N -1.798 106.961 108.800 -0.069 0.000 2.389 11 G HA2 0.198 4.170 3.960 0.019 0.000 0.317 11 G HA3 0.198 4.107 3.960 -0.086 0.000 0.317 11 G C -0.522 174.433 174.900 0.092 0.000 1.137 11 G CA -1.511 43.577 45.100 -0.020 0.000 0.870 11 G HN -0.795 7.145 8.290 -0.214 0.221 0.496 12 R N 2.494 123.076 120.500 0.136 0.000 2.062 12 R HA -0.353 4.224 4.340 0.395 0.000 0.229 12 R C 2.362 178.741 176.300 0.131 0.000 1.128 12 R CA 3.625 59.848 56.100 0.204 0.000 0.960 12 R CB -0.197 30.170 30.300 0.112 0.000 0.855 12 R HN 0.435 8.754 8.270 0.081 0.000 0.432 13 G N -0.543 108.284 108.800 0.045 0.000 2.547 13 G HA2 -0.330 3.646 3.960 0.026 0.000 0.221 13 G HA3 -0.330 3.625 3.960 -0.010 0.000 0.221 13 G C 0.954 175.846 174.900 -0.013 0.000 1.140 13 G CA 2.213 47.320 45.100 0.012 0.000 0.760 13 G HN 0.197 8.506 8.290 0.032 0.000 0.583 14 A N 1.140 123.904 122.820 -0.093 0.000 1.877 14 A HA -0.198 4.031 4.320 -0.151 0.000 0.216 14 A C 1.960 179.433 177.584 -0.185 0.000 1.186 14 A CA 2.275 54.187 52.037 -0.209 0.000 0.620 14 A CB -0.913 17.845 19.000 -0.403 0.000 0.822 14 A HN -0.065 8.019 8.150 -0.101 0.005 0.443 15 W N -2.074 119.196 121.300 -0.050 0.000 2.335 15 W HA -0.357 4.269 4.660 -0.057 0.000 0.311 15 W C 2.377 178.900 176.519 0.008 0.000 1.213 15 W CA 2.921 60.242 57.345 -0.038 0.000 1.274 15 W CB -0.175 29.256 29.460 -0.048 0.000 1.148 15 W HN -0.739 7.321 8.180 -0.075 0.075 0.498 16 L N -2.958 118.412 121.223 0.245 0.000 2.191 16 L HA -0.437 4.019 4.340 0.193 0.000 0.212 16 L C 2.037 179.008 176.870 0.168 0.000 1.103 16 L CA 2.978 57.925 54.840 0.177 0.000 0.769 16 L CB -0.529 41.598 42.059 0.114 0.000 0.908 16 L HN 0.626 8.884 8.230 0.227 0.108 0.438 17 L N -1.405 119.887 121.223 0.114 0.000 2.156 17 L HA -0.269 4.149 4.340 0.129 0.000 0.208 17 L C 1.344 178.315 176.870 0.169 0.000 1.095 17 L CA 3.019 57.925 54.840 0.110 0.000 0.770 17 L CB -0.057 42.017 42.059 0.025 0.000 0.914 17 L HN -0.374 7.755 8.230 0.078 0.148 0.439 18 M N -1.902 117.788 119.600 0.150 0.000 2.254 18 M HA -0.286 4.288 4.480 0.157 0.000 0.265 18 M C 2.200 178.668 176.300 0.281 0.000 1.066 18 M CA 3.603 59.012 55.300 0.182 0.000 1.123 18 M CB 0.023 32.710 32.600 0.146 0.000 1.388 18 M HN -0.538 7.696 8.290 0.130 0.134 0.425 19 A N 0.212 123.191 122.820 0.266 0.000 1.855 19 A HA -0.229 4.227 4.320 0.227 0.000 0.215 19 A C 1.587 179.296 177.584 0.208 0.000 1.191 19 A CA 3.049 55.225 52.037 0.230 0.000 0.613 19 A CB -1.055 18.062 19.000 0.196 0.000 0.829 19 A HN -0.448 7.750 8.150 0.256 0.105 0.442 20 F N -1.385 118.627 119.950 0.102 0.000 2.202 20 F HA -0.376 4.192 4.527 0.069 0.000 0.301 20 F C 1.368 177.218 175.800 0.084 0.000 1.082 20 F CA 3.398 61.444 58.000 0.078 0.000 1.313 20 F CB 0.362 39.397 39.000 0.058 0.000 1.024 20 F HN -0.264 8.260 8.300 0.374 0.000 0.495 21 T N 0.182 114.864 114.554 0.213 0.000 2.701 21 T HA -0.480 3.944 4.350 0.122 0.000 0.263 21 T C 1.782 176.505 174.700 0.038 0.000 1.040 21 T CA 4.089 66.275 62.100 0.144 0.000 1.147 21 T CB -0.666 68.345 68.868 0.237 0.000 0.865 21 T HN -0.442 7.955 8.240 0.300 0.023 0.426 22 A N 0.985 123.866 122.820 0.101 0.000 2.015 22 A HA -0.161 4.123 4.320 -0.060 0.000 0.219 22 A C 2.256 179.807 177.584 -0.054 0.000 1.163 22 A CA 2.583 54.621 52.037 0.003 0.000 0.646 22 A CB -0.739 18.284 19.000 0.038 0.000 0.806 22 A HN -0.561 7.716 8.150 0.212 0.000 0.448 23 L N -1.272 119.896 121.223 -0.093 0.000 2.095 23 L HA -0.223 4.075 4.340 -0.069 0.000 0.204 23 L C 1.309 178.027 176.870 -0.253 0.000 1.080 23 L CA 2.435 57.186 54.840 -0.148 0.000 0.759 23 L CB -0.249 41.712 42.059 -0.163 0.000 0.914 23 L HN 0.052 8.129 8.230 -0.069 0.111 0.439 24 A N -0.308 122.248 122.820 -0.439 0.000 1.986 24 A HA -0.345 3.684 4.320 -0.486 0.000 0.220 24 A C 2.121 179.605 177.584 -0.168 0.000 1.171 24 A CA 3.154 54.938 52.037 -0.422 0.000 0.640 24 A CB -1.027 17.705 19.000 -0.447 0.000 0.811 24 A HN 0.535 8.264 8.150 -0.503 0.120 0.451 25 L N -3.017 118.139 121.223 -0.111 0.000 2.109 25 L HA -0.195 4.129 4.340 -0.028 0.000 0.207 25 L C 2.261 179.120 176.870 -0.020 0.000 1.086 25 L CA 2.503 57.315 54.840 -0.047 0.000 0.760 25 L CB 0.030 42.063 42.059 -0.044 0.000 0.910 25 L HN -0.594 7.541 8.230 -0.126 0.020 0.437 26 E N -0.937 119.241 120.200 -0.035 0.000 2.072 26 E HA -0.330 4.022 4.350 0.002 0.000 0.190 26 E C 2.399 179.001 176.600 0.003 0.000 0.982 26 E CA 2.997 59.391 56.400 -0.010 0.000 0.803 26 E CB -0.215 29.483 29.700 -0.005 0.000 0.755 26 E HN -0.782 7.436 8.360 -0.063 0.104 0.453 27 L N -0.459 120.750 121.223 -0.024 0.000 1.988 27 L HA -0.260 4.092 4.340 0.020 0.000 0.207 27 L C 1.927 178.832 176.870 0.057 0.000 1.071 27 L CA 3.256 58.096 54.840 0.000 0.000 0.744 27 L CB 0.150 42.177 42.059 -0.053 0.000 0.893 27 L HN 0.574 8.763 8.230 -0.069 0.000 0.433 28 T N -2.880 111.696 114.554 0.037 0.000 2.778 28 T HA -0.429 3.952 4.350 0.051 0.000 0.269 28 T C 1.829 176.692 174.700 0.271 0.000 1.050 28 T CA 3.955 66.117 62.100 0.105 0.000 1.137 28 T CB -0.451 68.468 68.868 0.086 0.000 0.860 28 T HN -0.178 8.051 8.240 -0.019 0.000 0.468 29 A N 1.315 124.259 122.820 0.205 0.000 1.903 29 A HA -0.048 4.501 4.320 0.382 0.000 0.213 29 A C 1.703 179.399 177.584 0.187 0.000 1.185 29 A CA 2.394 54.566 52.037 0.225 0.000 0.628 29 A CB -0.680 18.373 19.000 0.089 0.000 0.830 29 A HN -0.648 7.448 8.150 0.115 0.123 0.446 30 L N -2.229 119.068 121.223 0.124 0.000 2.447 30 L HA -0.269 4.294 4.340 0.040 -0.199 0.225 30 L C 2.039 178.998 176.870 0.148 0.000 1.148 30 L CA 2.318 57.209 54.840 0.086 0.000 0.808 30 L CB -0.306 41.782 42.059 0.048 0.000 0.928 30 L HN 0.138 8.239 8.230 0.100 0.189 0.448 31 W N -0.798 120.505 121.300 0.003 0.000 2.588 31 W HA -0.214 4.480 4.660 0.056 0.000 0.277 31 W C 0.637 177.095 176.519 -0.102 0.000 1.221 31 W CA 3.524 60.843 57.345 -0.042 0.000 1.355 31 W CB 0.337 29.706 29.460 -0.152 0.000 1.083 31 W HN -0.398 7.792 8.180 0.317 0.180 0.581 32 F N 0.046 119.954 119.950 -0.071 0.000 2.126 32 F HA -0.575 3.623 4.527 -0.549 0.000 0.299 32 F C 1.839 177.407 175.800 -0.386 0.000 1.096 32 F CA 4.404 62.190 58.000 -0.357 0.000 1.255 32 F CB 0.057 38.854 39.000 -0.339 0.000 0.997 32 F HN -0.781 7.603 8.300 0.307 0.100 0.479 33 Q N -2.503 117.277 119.800 -0.034 0.000 2.137 33 Q HA -0.371 3.944 4.340 -0.043 0.000 0.198 33 Q C 1.779 177.737 176.000 -0.070 0.000 0.960 33 Q CA 2.835 58.609 55.803 -0.049 0.000 0.847 33 Q CB -0.612 28.115 28.738 -0.019 0.000 0.915 33 Q HN -0.263 8.023 8.270 0.040 0.008 0.448 34 H N 1.076 119.994 119.070 -0.254 0.000 2.457 34 H HA -0.201 4.253 4.556 -0.171 0.000 0.297 34 H C 1.478 176.588 175.328 -0.363 0.000 1.092 34 H CA 2.896 58.782 56.048 -0.271 0.000 1.309 34 H CB 0.179 29.785 29.762 -0.259 0.000 1.382 34 H HN -0.582 7.583 8.280 -0.051 0.084 0.535 35 V N -5.575 114.035 119.914 -0.505 0.000 3.048 35 V HA 0.094 3.942 4.120 -0.453 0.000 0.241 35 V C 1.295 177.213 176.094 -0.293 0.000 1.129 35 V CA 1.511 63.483 62.300 -0.547 0.000 1.128 35 V CB 0.608 31.848 31.823 -0.971 0.000 0.849 35 V HN -0.445 7.260 8.190 -0.593 0.129 0.475 36 M N -0.310 119.148 119.600 -0.237 0.000 2.618 36 M HA -0.009 4.452 4.480 -0.031 0.000 0.240 36 M C 0.064 176.350 176.300 -0.023 0.000 1.123 36 M CA 0.094 55.353 55.300 -0.068 0.000 1.060 36 M CB 0.395 32.990 32.600 -0.010 0.000 1.535 36 M HN 0.203 8.182 8.290 -0.314 0.122 0.507 37 L N -1.791 119.404 121.223 -0.047 0.000 3.739 37 L HA -0.408 3.974 4.340 -0.009 -0.046 0.442 37 L C -2.104 174.768 176.870 0.003 0.000 1.241 37 L CA 0.619 55.451 54.840 -0.013 0.000 0.819 37 L CB -1.992 40.063 42.059 -0.007 0.000 1.679 37 L HN -0.347 7.743 8.230 -0.089 0.086 0.889 38 L N -1.442 119.781 121.223 0.001 0.000 2.418 38 L HA 0.096 4.456 4.340 0.032 0.000 0.265 38 L C -0.893 175.980 176.870 0.004 0.000 1.143 38 L CA 0.110 54.960 54.840 0.017 0.000 0.809 38 L CB 1.416 43.488 42.059 0.022 0.000 1.124 38 L HN -0.907 7.210 8.230 -0.015 0.104 0.456 39 K N 2.844 123.250 120.400 0.011 0.000 2.270 39 K HA 0.453 4.768 4.320 -0.010 0.000 0.255 39 K C -2.172 174.431 176.600 0.005 0.000 0.936 39 K CA -3.554 52.734 56.287 0.002 0.000 0.809 39 K CB 0.039 32.543 32.500 0.006 0.000 1.131 39 K HN -0.069 8.195 8.250 0.023 0.000 0.427 40 P HA 0.119 4.539 4.420 -0.001 0.000 0.276 40 P C -1.418 175.888 177.300 0.010 0.000 1.261 40 P CA -0.597 62.499 63.100 -0.005 0.000 0.800 40 P CB 0.828 32.510 31.700 -0.029 0.000 1.066 41 c N -2.786 115.827 118.600 0.021 0.000 2.871 41 c HA 0.322 4.914 4.570 0.036 0.000 0.351 41 c C 0.695 174.818 174.090 0.054 0.000 1.338 41 c CA -2.767 53.586 56.329 0.040 0.000 1.686 41 c CB 3.253 45.796 42.510 0.055 0.000 2.135 41 c HN 0.491 8.731 8.230 0.017 0.000 0.476 42 V N 0.983 120.942 119.914 0.074 0.000 2.255 42 V HA -0.339 3.845 4.120 0.106 0.000 0.247 42 V C 2.226 178.409 176.094 0.147 0.000 1.051 42 V CA 4.334 66.700 62.300 0.109 0.000 1.018 42 V CB -0.635 31.258 31.823 0.116 0.000 0.641 42 V HN 0.158 8.389 8.190 0.069 0.000 0.445 43 L N -1.791 119.509 121.223 0.129 0.000 2.027 43 L HA -0.341 4.097 4.340 0.163 0.000 0.206 43 L C 1.484 178.423 176.870 0.115 0.000 1.074 43 L CA 3.446 58.367 54.840 0.135 0.000 0.745 43 L CB -0.270 41.863 42.059 0.123 0.000 0.898 43 L HN -0.462 7.834 8.230 0.110 0.000 0.433 44 S N 0.217 115.958 115.700 0.067 0.000 2.372 44 S HA -0.424 4.038 4.470 -0.013 0.000 0.227 44 S C 2.428 177.036 174.600 0.013 0.000 1.044 44 S CA 3.403 61.614 58.200 0.018 0.000 1.050 44 S CB -0.418 62.787 63.200 0.008 0.000 0.901 44 S HN -0.545 7.810 8.310 0.074 0.000 0.447 45 I N 1.652 122.230 120.570 0.013 0.000 2.226 45 I HA -0.443 3.655 4.170 -0.120 0.000 0.245 45 I C 1.919 178.007 176.117 -0.050 0.000 1.100 45 I CA 2.929 64.192 61.300 -0.063 0.000 1.374 45 I CB -1.036 36.922 38.000 -0.069 0.000 1.057 45 I HN -0.344 7.887 8.210 0.035 -0.000 0.413 46 Y N 0.111 120.395 120.300 -0.027 0.000 2.145 46 Y HA -0.548 4.013 4.550 0.019 0.000 0.286 46 Y C 2.086 177.995 175.900 0.016 0.000 1.145 46 Y CA 3.693 61.803 58.100 0.016 0.000 1.148 46 Y CB -0.065 38.432 38.460 0.063 0.000 0.981 46 Y HN -0.517 7.819 8.280 0.219 0.076 0.507 47 E N -1.102 119.237 120.200 0.232 0.000 2.118 47 E HA -0.500 3.959 4.350 0.182 0.000 0.195 47 E C 2.210 178.886 176.600 0.126 0.000 0.992 47 E CA 3.052 59.531 56.400 0.130 0.000 0.804 47 E CB -0.163 29.520 29.700 -0.028 0.000 0.741 47 E HN 0.325 8.694 8.360 0.194 0.107 0.458 48 R N -1.894 118.634 120.500 0.046 0.000 2.152 48 R HA -0.319 4.060 4.340 0.066 0.000 0.232 48 R C 1.659 177.992 176.300 0.054 0.000 1.117 48 R CA 3.095 59.206 56.100 0.019 0.000 0.981 48 R CB -0.166 30.078 30.300 -0.094 0.000 0.870 48 R HN -0.083 8.100 8.270 0.018 0.098 0.451 49 A N -1.605 121.215 122.820 0.001 0.000 1.929 49 A HA -0.158 4.208 4.320 0.076 0.000 0.216 49 A C 1.762 179.437 177.584 0.152 0.000 1.176 49 A CA 2.807 54.862 52.037 0.030 0.000 0.628 49 A CB -1.178 17.733 19.000 -0.149 0.000 0.816 49 A HN -0.235 7.747 8.150 -0.029 0.150 0.444 50 A N -0.787 122.156 122.820 0.205 0.000 1.865 50 A HA -0.230 4.222 4.320 0.220 0.000 0.217 50 A C 2.109 179.768 177.584 0.125 0.000 1.191 50 A CA 2.798 54.983 52.037 0.247 0.000 0.623 50 A CB -0.787 18.461 19.000 0.414 0.000 0.826 50 A HN -0.705 7.475 8.150 0.218 0.100 0.444 51 L N -1.625 119.692 121.223 0.157 0.000 2.049 51 L HA -0.246 3.905 4.340 -0.315 0.000 0.203 51 L C 1.332 178.184 176.870 -0.030 0.000 1.074 51 L CA 3.056 57.857 54.840 -0.064 0.000 0.749 51 L CB 0.073 42.137 42.059 0.007 0.000 0.907 51 L HN -0.667 7.735 8.230 0.287 0.000 0.439 52 F N -0.530 119.383 119.950 -0.061 0.000 2.141 52 F HA -0.487 4.003 4.527 -0.062 0.000 0.300 52 F C 1.736 177.506 175.800 -0.049 0.000 1.079 52 F CA 3.544 61.506 58.000 -0.063 0.000 1.264 52 F CB -0.366 38.585 39.000 -0.082 0.000 1.011 52 F HN 0.414 8.754 8.300 0.233 0.100 0.487 53 G N -2.992 105.749 108.800 -0.098 0.000 2.402 53 G HA2 -0.334 3.467 3.960 -0.265 0.000 0.216 53 G HA3 -0.334 3.659 3.960 -0.024 -0.047 0.216 53 G C 0.969 175.749 174.900 -0.201 0.000 1.162 53 G CA 2.112 47.116 45.100 -0.160 0.000 0.777 53 G HN 0.065 8.293 8.290 0.091 0.117 0.539 54 V N 3.324 123.120 119.914 -0.197 0.000 2.295 54 V HA -0.428 3.582 4.120 -0.183 0.000 0.246 54 V C 1.543 177.533 176.094 -0.174 0.000 1.049 54 V CA 3.325 65.478 62.300 -0.244 0.000 1.024 54 V CB -0.197 31.342 31.823 -0.473 0.000 0.648 54 V HN -0.417 7.567 8.190 -0.172 0.103 0.447 55 L N -0.534 120.574 121.223 -0.191 0.000 2.034 55 L HA -0.406 3.929 4.340 -0.008 0.000 0.217 55 L C 2.318 179.102 176.870 -0.143 0.000 1.077 55 L CA 3.193 57.958 54.840 -0.125 0.000 0.769 55 L CB -1.232 40.726 42.059 -0.168 0.000 0.890 55 L HN 0.478 8.576 8.230 -0.220 0.000 0.435 56 G N -4.463 104.169 108.800 -0.280 0.000 2.448 56 G HA2 -0.350 3.491 3.960 -0.198 0.000 0.219 56 G HA3 -0.350 3.436 3.960 -0.291 0.000 0.219 56 G C 0.440 175.270 174.900 -0.117 0.000 1.127 56 G CA 1.877 46.840 45.100 -0.228 0.000 0.766 56 G HN -0.384 7.660 8.290 -0.415 -0.003 0.552 57 A N 1.677 124.449 122.820 -0.080 0.000 1.969 57 A HA -0.118 4.177 4.320 -0.042 0.000 0.218 57 A C 1.735 179.326 177.584 0.011 0.000 1.169 57 A CA 2.543 54.574 52.037 -0.011 0.000 0.635 57 A CB -0.722 18.319 19.000 0.068 0.000 0.810 57 A HN 0.168 8.077 8.150 -0.110 0.174 0.445 58 A N -2.406 120.455 122.820 0.068 0.000 2.067 58 A HA -0.233 4.083 4.320 -0.006 0.000 0.217 58 A C 1.574 179.137 177.584 -0.035 0.000 1.156 58 A CA 2.434 54.513 52.037 0.071 0.000 0.683 58 A CB -0.468 18.682 19.000 0.251 0.000 0.808 58 A HN -0.194 7.866 8.150 0.063 0.129 0.455 59 L N -2.484 118.719 121.223 -0.034 0.000 2.109 59 L HA -0.210 4.119 4.340 -0.018 0.000 0.207 59 L C 1.461 178.280 176.870 -0.084 0.000 1.086 59 L CA 2.844 57.659 54.840 -0.043 0.000 0.760 59 L CB -0.521 41.515 42.059 -0.039 0.000 0.910 59 L HN -0.633 7.438 8.230 -0.033 0.140 0.437 60 I N -8.703 111.807 120.570 -0.101 0.000 2.480 60 I HA 0.027 4.140 4.170 -0.096 0.000 0.251 60 I C 2.528 178.537 176.117 -0.179 0.000 1.124 60 I CA 1.850 63.081 61.300 -0.114 0.000 1.444 60 I CB 0.123 38.067 38.000 -0.094 0.000 1.098 60 I HN -0.754 7.402 8.210 -0.091 0.000 0.428 61 G N 0.162 108.814 108.800 -0.247 0.000 2.408 61 G HA2 -0.300 3.458 3.960 -0.338 0.000 0.217 61 G HA3 -0.300 3.355 3.960 -0.510 0.000 0.217 61 G C 0.327 174.890 174.900 -0.562 0.000 1.150 61 G CA 1.710 46.562 45.100 -0.414 0.000 0.776 61 G HN 0.062 8.231 8.290 -0.201 0.000 0.542 62 A N -1.311 121.200 122.820 -0.515 0.000 2.263 62 A HA -0.104 3.747 4.320 -0.782 0.000 0.205 62 A C 0.271 177.719 177.584 -0.227 0.000 1.226 62 A CA 1.020 52.787 52.037 -0.451 0.000 0.810 62 A CB -0.844 18.054 19.000 -0.170 0.000 0.784 62 A HN -0.402 7.518 8.150 -0.384 0.000 0.486 63 I N -2.157 118.286 120.570 -0.212 0.000 2.716 63 I HA -0.225 3.890 4.170 -0.091 0.000 0.259 63 I C 0.122 176.169 176.117 -0.117 0.000 1.172 63 I CA 1.346 62.570 61.300 -0.128 0.000 1.478 63 I CB 0.906 38.841 38.000 -0.110 0.000 1.104 63 I HN -0.661 7.158 8.210 -0.260 0.235 0.439 64 A N -1.446 121.277 122.820 -0.161 0.000 2.001 64 A HA 0.295 4.562 4.320 -0.089 0.000 0.259 64 A C -2.878 174.612 177.584 -0.156 0.000 1.410 64 A CA -0.238 51.726 52.037 -0.121 0.000 1.208 64 A CB -0.268 18.680 19.000 -0.087 0.000 1.163 64 A HN -0.531 7.482 8.150 -0.230 0.000 0.651 65 P HA 0.026 4.301 4.420 -0.241 0.000 0.258 65 P C -0.505 176.742 177.300 -0.089 0.000 1.403 65 P CA 0.582 63.578 63.100 -0.172 0.000 0.826 65 P CB 0.221 31.838 31.700 -0.139 0.000 1.414 66 K N -2.319 118.034 120.400 -0.078 0.000 2.373 66 K HA 0.181 4.474 4.320 -0.046 0.000 0.200 66 K C -1.205 175.354 176.600 -0.068 0.000 1.054 66 K CA -0.507 55.748 56.287 -0.054 0.000 1.065 66 K CB 0.972 33.453 32.500 -0.030 0.000 0.886 66 K HN 0.029 8.084 8.250 -0.087 0.143 0.546 67 T N -0.033 114.464 114.554 -0.094 0.000 2.950 67 T HA 0.534 4.848 4.350 -0.059 0.000 0.288 67 T C -1.495 173.119 174.700 -0.144 0.000 1.035 67 T CA -3.107 58.941 62.100 -0.086 0.000 1.028 67 T CB -0.595 68.234 68.868 -0.066 0.000 1.109 67 T HN -0.590 7.532 8.240 -0.112 0.051 0.514 68 P HA -0.192 4.056 4.420 -0.286 0.000 0.222 68 P C 1.118 178.270 177.300 -0.247 0.000 1.139 68 P CA 2.037 65.048 63.100 -0.148 0.000 0.790 68 P CB -0.153 31.595 31.700 0.080 0.000 0.757 69 L N -3.757 117.360 121.223 -0.176 0.000 2.151 69 L HA -0.523 3.757 4.340 -0.099 0.000 0.215 69 L C 1.723 178.450 176.870 -0.238 0.000 1.084 69 L CA 3.008 57.750 54.840 -0.163 0.000 0.764 69 L CB -0.537 41.426 42.059 -0.159 0.000 0.891 69 L HN -0.184 7.852 8.230 -0.139 0.111 0.435 70 R N -1.674 118.597 120.500 -0.382 0.000 2.179 70 R HA -0.544 3.609 4.340 -0.312 0.000 0.238 70 R C 2.153 178.281 176.300 -0.287 0.000 1.119 70 R CA 3.701 59.554 56.100 -0.413 0.000 0.915 70 R CB -0.723 29.229 30.300 -0.580 0.000 0.870 70 R HN -0.271 7.740 8.270 -0.393 0.023 0.432 71 Y N -3.921 116.373 120.300 -0.010 0.000 2.228 71 Y HA -0.351 4.215 4.550 0.027 0.000 0.285 71 Y C 2.552 178.447 175.900 -0.007 0.000 1.178 71 Y CA 2.283 60.390 58.100 0.011 0.000 1.202 71 Y CB -1.410 37.067 38.460 0.029 0.000 0.974 71 Y HN -0.445 6.963 8.280 -1.454 0.000 0.527 72 V N -0.873 119.081 119.914 0.067 0.000 2.307 72 V HA -0.473 3.671 4.120 0.039 0.000 0.245 72 V C 0.962 177.039 176.094 -0.027 0.000 1.045 72 V CA 3.154 65.464 62.300 0.016 0.000 1.024 72 V CB -0.658 31.155 31.823 -0.016 0.000 0.651 72 V HN -0.359 7.702 8.190 0.002 0.130 0.449 73 A N -1.788 120.994 122.820 -0.063 0.000 1.898 73 A HA -0.021 4.267 4.320 -0.054 0.000 0.214 73 A C 2.117 179.714 177.584 0.022 0.000 1.183 73 A CA 2.619 54.620 52.037 -0.059 0.000 0.622 73 A CB 0.063 18.977 19.000 -0.144 0.000 0.824 73 A HN 0.011 8.102 8.150 -0.098 0.000 0.444 74 M N -1.474 118.142 119.600 0.027 0.000 2.446 74 M HA -0.345 4.268 4.480 0.221 0.000 0.263 74 M C 1.468 177.873 176.300 0.175 0.000 1.066 74 M CA 2.540 57.919 55.300 0.131 0.000 1.087 74 M CB -0.864 31.785 32.600 0.081 0.000 1.406 74 M HN 0.492 8.658 8.290 -0.032 0.104 0.459 75 V N 1.218 121.174 119.914 0.071 0.000 2.469 75 V HA -0.458 3.703 4.120 0.067 0.000 0.251 75 V C 1.879 177.855 176.094 -0.198 0.000 1.064 75 V CA 3.860 66.132 62.300 -0.046 0.000 1.066 75 V CB -0.275 31.463 31.823 -0.142 0.000 0.667 75 V HN -0.456 7.598 8.190 0.045 0.162 0.461 76 I N -1.664 118.866 120.570 -0.066 0.000 2.703 76 I HA -0.183 3.899 4.170 -0.147 0.000 0.259 76 I C 1.427 177.637 176.117 0.154 0.000 1.151 76 I CA 1.485 62.768 61.300 -0.027 0.000 1.470 76 I CB -0.824 37.159 38.000 -0.030 0.000 1.112 76 I HN -0.200 7.878 8.210 -0.002 0.131 0.437 77 W N 2.817 124.145 121.300 0.046 0.000 2.355 77 W HA -0.259 4.447 4.660 0.076 0.000 0.309 77 W C 2.592 179.205 176.519 0.157 0.000 1.206 77 W CA 4.102 61.499 57.345 0.086 0.000 1.284 77 W CB 0.320 29.818 29.460 0.063 0.000 1.145 77 W HN -0.671 7.622 8.180 0.341 0.091 0.502 78 L N -1.159 120.354 121.223 0.483 0.000 2.027 78 L HA -0.408 4.195 4.340 0.438 0.000 0.206 78 L C 1.431 178.566 176.870 0.442 0.000 1.074 78 L CA 3.613 58.717 54.840 0.439 0.000 0.745 78 L CB -0.524 41.773 42.059 0.396 0.000 0.898 78 L HN 0.661 9.041 8.230 0.442 0.115 0.433 79 Y N -2.507 117.905 120.300 0.187 0.000 2.139 79 Y HA -0.532 4.118 4.550 0.166 0.000 0.282 79 Y C 2.152 178.160 175.900 0.179 0.000 1.179 79 Y CA 2.678 60.878 58.100 0.166 0.000 1.161 79 Y CB -0.810 37.730 38.460 0.134 0.000 0.970 79 Y HN -0.610 8.067 8.280 0.662 0.000 0.511 80 S N -2.382 113.494 115.700 0.294 0.000 2.470 80 S HA -0.200 4.420 4.470 0.250 0.000 0.225 80 S C 1.301 176.027 174.600 0.209 0.000 1.006 80 S CA 2.111 60.431 58.200 0.199 0.000 0.934 80 S CB -1.000 62.207 63.200 0.012 0.000 0.778 80 S HN -0.369 8.101 8.310 0.279 0.008 0.517 81 A N 3.235 126.192 122.820 0.229 0.000 1.845 81 A HA -0.283 4.163 4.320 0.210 0.000 0.215 81 A C 1.888 179.611 177.584 0.232 0.000 1.195 81 A CA 2.860 55.045 52.037 0.248 0.000 0.616 81 A CB -0.721 18.470 19.000 0.317 0.000 0.832 81 A HN -0.510 7.624 8.150 0.260 0.172 0.443 82 F N -1.009 119.022 119.950 0.136 0.000 2.098 82 F HA -0.228 4.351 4.527 0.085 0.000 0.294 82 F C 1.761 177.609 175.800 0.079 0.000 1.107 82 F CA 3.768 61.820 58.000 0.088 0.000 1.234 82 F CB 0.561 39.590 39.000 0.049 0.000 1.002 82 F HN -0.456 8.091 8.300 0.413 0.000 0.472 83 R N -2.256 118.469 120.500 0.375 0.000 2.066 83 R HA -0.259 4.252 4.340 0.286 0.000 0.232 83 R C 2.535 178.954 176.300 0.198 0.000 1.131 83 R CA 2.484 58.742 56.100 0.263 0.000 0.955 83 R CB -1.319 29.105 30.300 0.207 0.000 0.851 83 R HN -0.350 8.139 8.270 0.364 0.000 0.432 84 G N -1.251 107.696 108.800 0.244 0.000 2.446 84 G HA2 -0.236 3.876 3.960 0.254 0.000 0.217 84 G HA3 -0.236 4.125 3.960 0.475 -0.116 0.217 84 G C 1.526 176.522 174.900 0.160 0.000 1.168 84 G CA 2.094 47.368 45.100 0.290 0.000 0.771 84 G HN -0.259 8.064 8.290 0.265 0.126 0.551 85 V N 3.552 123.553 119.914 0.145 0.000 2.307 85 V HA -0.267 3.893 4.120 0.067 0.000 0.245 85 V C 2.455 178.552 176.094 0.004 0.000 1.045 85 V CA 3.301 65.632 62.300 0.051 0.000 1.024 85 V CB -0.290 31.526 31.823 -0.011 0.000 0.651 85 V HN -0.693 7.600 8.190 0.172 0.000 0.449 86 Q N -0.349 119.422 119.800 -0.048 0.000 2.096 86 Q HA -0.332 3.942 4.340 -0.109 0.000 0.204 86 Q C 2.798 178.838 176.000 0.066 0.000 0.982 86 Q CA 3.170 58.952 55.803 -0.034 0.000 0.850 86 Q CB -0.218 28.529 28.738 0.015 0.000 0.901 86 Q HN -0.102 8.024 8.270 -0.060 0.108 0.422 87 L N -1.587 119.672 121.223 0.059 0.000 1.994 87 L HA -0.234 4.130 4.340 0.040 0.000 0.208 87 L C 1.699 178.589 176.870 0.033 0.000 1.071 87 L CA 2.971 57.834 54.840 0.037 0.000 0.745 87 L CB -0.122 41.942 42.059 0.009 0.000 0.892 87 L HN 0.558 8.718 8.230 0.067 0.110 0.431 88 T N -1.867 112.676 114.554 -0.018 0.000 2.848 88 T HA -0.378 3.895 4.350 -0.128 0.000 0.269 88 T C 1.553 176.267 174.700 0.025 0.000 1.081 88 T CA 3.136 65.192 62.100 -0.073 0.000 1.125 88 T CB -0.832 67.934 68.868 -0.170 0.000 0.848 88 T HN 0.212 8.328 8.240 -0.028 0.107 0.503 89 Y N 2.903 123.177 120.300 -0.044 0.000 2.184 89 Y HA -0.123 4.407 4.550 -0.033 0.000 0.290 89 Y C 1.805 177.699 175.900 -0.010 0.000 1.129 89 Y CA 3.427 61.508 58.100 -0.032 0.000 1.144 89 Y CB 0.333 38.764 38.460 -0.047 0.000 0.995 89 Y HN -0.846 7.374 8.280 0.191 0.174 0.513 90 E N -0.045 120.239 120.200 0.141 0.000 2.130 90 E HA -0.531 3.868 4.350 0.081 0.000 0.196 90 E C 2.218 178.823 176.600 0.009 0.000 0.998 90 E CA 3.362 59.805 56.400 0.072 0.000 0.806 90 E CB -0.448 29.291 29.700 0.065 0.000 0.738 90 E HN -0.185 8.185 8.360 0.168 0.091 0.459 91 H N -1.139 117.889 119.070 -0.070 0.000 2.357 91 H HA -0.178 4.340 4.556 -0.062 0.000 0.301 91 H C 2.246 177.498 175.328 -0.127 0.000 1.082 91 H CA 4.020 60.016 56.048 -0.088 0.000 1.342 91 H CB 0.396 30.100 29.762 -0.096 0.000 1.389 91 H HN -0.574 7.766 8.280 0.121 0.012 0.511 92 T N 0.447 114.952 114.554 -0.082 0.000 2.701 92 T HA -0.296 3.985 4.350 -0.115 0.000 0.263 92 T C 1.846 176.390 174.700 -0.260 0.000 1.040 92 T CA 3.399 65.377 62.100 -0.202 0.000 1.147 92 T CB -0.355 68.299 68.868 -0.356 0.000 0.865 92 T HN -0.522 7.604 8.240 -0.047 0.086 0.426 93 M N 1.995 121.421 119.600 -0.289 0.000 2.065 93 M HA -0.452 3.918 4.480 -0.183 0.000 0.259 93 M C 1.995 178.259 176.300 -0.060 0.000 1.069 93 M CA 3.824 59.021 55.300 -0.171 0.000 1.110 93 M CB 0.113 32.651 32.600 -0.102 0.000 1.328 93 M HN 0.236 8.318 8.290 -0.347 0.000 0.405 94 L N -1.737 119.430 121.223 -0.092 0.000 2.046 94 L HA -0.295 4.184 4.340 -0.005 -0.142 0.208 94 L C 1.869 178.648 176.870 -0.151 0.000 1.077 94 L CA 3.248 58.035 54.840 -0.088 0.000 0.747 94 L CB -0.144 41.841 42.059 -0.123 0.000 0.896 94 L HN -0.246 7.915 8.230 -0.114 0.000 0.432 95 Q N -1.533 118.107 119.800 -0.265 0.000 2.096 95 Q HA -0.354 3.821 4.340 -0.274 0.000 0.204 95 Q C 1.843 177.755 176.000 -0.146 0.000 0.982 95 Q CA 2.995 58.636 55.803 -0.270 0.000 0.850 95 Q CB 0.178 28.704 28.738 -0.352 0.000 0.901 95 Q HN -0.217 7.679 8.270 -0.327 0.178 0.422 96 L N -4.573 116.589 121.223 -0.102 0.000 2.585 96 L HA 0.069 4.374 4.340 -0.059 0.000 0.226 96 L C -0.273 176.623 176.870 0.043 0.000 1.113 96 L CA 0.547 55.361 54.840 -0.043 0.000 0.876 96 L CB 1.488 43.520 42.059 -0.045 0.000 1.072 96 L HN -0.413 7.742 8.230 -0.121 0.003 0.468 97 Y N -0.538 119.687 120.300 -0.126 0.000 2.490 97 Y HA 0.373 4.868 4.550 -0.091 0.000 0.346 97 Y C -2.247 173.583 175.900 -0.116 0.000 1.023 97 Y CA -3.865 54.171 58.100 -0.106 0.000 1.142 97 Y CB 0.981 39.383 38.460 -0.095 0.000 1.126 97 Y HN -0.079 7.943 8.280 0.022 0.271 0.647 98 P HA 0.159 4.540 4.420 -0.144 -0.047 0.270 98 P C -1.201 175.945 177.300 -0.256 0.000 1.242 98 P CA 0.689 63.671 63.100 -0.197 0.000 0.768 98 P CB -0.222 31.377 31.700 -0.170 0.000 0.820 99 S N 3.350 118.934 115.700 -0.194 0.000 2.631 99 S HA 0.169 4.524 4.470 -0.192 0.000 0.159 99 S C -1.928 172.526 174.600 -0.245 0.000 0.896 99 S CA -1.887 56.191 58.200 -0.203 0.000 1.022 99 S CB 0.104 63.183 63.200 -0.202 0.000 1.722 99 S HN 0.013 8.231 8.310 -0.154 0.000 0.520 100 P HA 0.167 4.266 4.420 -0.536 0.000 0.277 100 P C -0.559 176.525 177.300 -0.360 0.000 1.276 100 P CA -0.421 62.476 63.100 -0.338 0.000 0.788 100 P CB 0.556 32.187 31.700 -0.115 0.000 1.114 101 F N -0.875 119.085 119.950 0.017 0.000 2.070 101 F HA -0.141 4.393 4.527 0.013 0.000 0.199 101 F C 1.712 177.518 175.800 0.009 0.000 0.764 101 F CA 0.294 58.303 58.000 0.014 0.000 1.142 101 F CB -0.702 38.308 39.000 0.018 0.000 2.130 101 F HN 0.078 8.232 8.300 -0.244 0.000 0.625 102 A N -0.878 122.099 122.820 0.263 0.000 1.824 102 A HA -0.144 4.232 4.320 0.094 0.000 0.215 102 A C 0.489 178.139 177.584 0.109 0.000 1.244 102 A CA 1.650 53.764 52.037 0.128 0.000 0.604 102 A CB -0.015 19.038 19.000 0.087 0.000 0.900 102 A HN -0.053 8.303 8.150 0.342 0.000 0.455 103 T N -3.109 111.511 114.554 0.110 0.000 3.748 103 T HA 0.112 4.652 4.350 0.105 -0.127 0.281 103 T C -0.187 174.595 174.700 0.137 0.000 0.977 103 T CA -1.102 61.061 62.100 0.105 0.000 1.056 103 T CB 0.335 69.247 68.868 0.072 0.000 1.138 103 T HN -0.135 8.167 8.240 0.104 0.000 0.498 104 S N 1.386 117.193 115.700 0.177 0.000 2.423 104 S HA -0.211 4.340 4.470 0.136 0.000 0.238 104 S C 0.175 174.897 174.600 0.203 0.000 1.028 104 S CA 1.489 59.801 58.200 0.186 0.000 1.000 104 S CB -0.159 63.205 63.200 0.272 0.000 0.797 104 S HN 0.116 8.557 8.310 0.218 0.000 0.487 105 D N -0.391 120.118 120.400 0.182 0.000 2.598 105 D HA -0.191 4.541 4.640 0.154 0.000 0.231 105 D C -1.474 174.962 176.300 0.226 0.000 1.127 105 D CA 0.092 54.193 54.000 0.167 0.000 1.126 105 D CB -2.381 38.491 40.800 0.120 0.000 1.124 105 D HN 0.088 8.514 8.370 0.163 0.043 0.485 106 F N 6.703 126.692 119.950 0.065 0.000 2.449 106 F HA 0.191 4.745 4.527 0.046 0.000 0.344 106 F C -1.057 174.781 175.800 0.063 0.000 1.180 106 F CA -0.593 57.438 58.000 0.051 0.000 1.209 106 F CB 0.097 39.117 39.000 0.034 0.000 1.440 106 F HN -0.040 8.393 8.300 0.284 0.037 0.526 107 M N -0.497 118.934 119.600 -0.283 0.000 7.319 107 M HA -0.332 4.078 4.480 -0.117 0.000 0.183 107 M C -1.237 175.011 176.300 -0.085 0.000 0.480 107 M CA 1.162 56.307 55.300 -0.259 0.000 1.311 107 M CB -0.073 32.225 32.600 -0.503 0.000 0.421 107 M HN -0.140 8.076 8.290 -0.124 0.000 0.190 108 V N -2.082 117.844 119.914 0.019 0.000 2.383 108 V HA 0.126 4.373 4.120 0.212 0.000 0.275 108 V C -0.892 175.307 176.094 0.175 0.000 1.036 108 V CA -1.343 61.080 62.300 0.205 0.000 0.889 108 V CB -0.105 31.930 31.823 0.354 0.000 0.985 108 V HN 0.013 8.208 8.190 0.008 0.000 0.459 109 R N 8.222 128.822 120.500 0.168 0.000 2.205 109 R HA 0.232 4.485 4.340 -0.145 0.000 0.342 109 R C -1.105 175.277 176.300 0.136 0.000 1.058 109 R CA -0.232 55.898 56.100 0.050 0.000 0.904 109 R CB 0.090 30.462 30.300 0.120 0.000 1.089 109 R HN 0.379 8.780 8.270 0.218 0.000 0.471 110 F N 3.993 123.999 119.950 0.093 0.000 2.588 110 F HA 0.502 5.096 4.527 0.112 0.000 0.310 110 F C -2.437 173.411 175.800 0.080 0.000 1.082 110 F CA -3.999 54.050 58.000 0.081 0.000 0.929 110 F CB 0.211 39.222 39.000 0.019 0.000 1.254 110 F HN -0.209 7.536 8.300 -0.924 0.000 0.455 111 P HA 0.068 4.566 4.420 0.131 0.000 0.271 111 P C -0.008 177.494 177.300 0.336 0.000 1.216 111 P CA -0.204 63.048 63.100 0.253 0.000 0.771 111 P CB 0.884 32.772 31.700 0.314 0.000 0.864 112 E N 1.133 121.468 120.200 0.224 0.000 2.533 112 E HA -0.246 4.279 4.350 0.290 0.000 0.201 112 E C 0.049 176.779 176.600 0.217 0.000 1.097 112 E CA 1.765 58.297 56.400 0.220 0.000 0.887 112 E CB -0.865 28.917 29.700 0.135 0.000 0.855 112 E HN 0.459 8.905 8.360 0.144 0.000 0.540 113 W N -1.242 120.107 121.300 0.082 0.000 3.256 113 W HA -0.004 4.676 4.660 0.033 0.000 0.269 113 W C -1.417 175.122 176.519 0.033 0.000 1.310 113 W CA -0.633 56.740 57.345 0.047 0.000 1.673 113 W CB 0.349 29.833 29.460 0.040 0.000 1.115 113 W HN -0.446 7.848 8.180 0.424 0.141 0.686 114 L N 1.266 122.323 121.223 -0.277 0.000 2.457 114 L HA 0.457 4.361 4.340 -0.726 0.000 0.252 114 L C -2.067 174.635 176.870 -0.280 0.000 1.132 114 L CA -2.806 51.776 54.840 -0.430 0.000 0.938 114 L CB 0.349 42.270 42.059 -0.230 0.000 1.246 114 L HN -0.582 7.602 8.230 0.039 0.069 0.476 115 P HA -0.168 4.208 4.420 -0.074 0.000 0.238 115 P C 0.599 177.809 177.300 -0.150 0.000 1.175 115 P CA 1.814 64.827 63.100 -0.145 0.000 0.757 115 P CB -0.363 31.242 31.700 -0.158 0.000 0.839 116 L N -2.705 118.349 121.223 -0.281 0.000 2.131 116 L HA -0.343 3.933 4.340 -0.107 0.000 0.210 116 L C 0.492 176.987 176.870 -0.626 0.000 1.092 116 L CA 3.028 57.685 54.840 -0.304 0.000 0.759 116 L CB -0.204 41.677 42.059 -0.297 0.000 0.903 116 L HN -0.100 7.765 8.230 -0.315 0.176 0.435 117 D N -5.602 114.214 120.400 -0.973 0.000 2.338 117 D HA 0.030 3.783 4.640 -1.669 -0.114 0.224 117 D C 0.954 176.854 176.300 -0.666 0.000 0.967 117 D CA 1.885 55.052 54.000 -1.388 0.000 0.896 117 D CB 0.512 39.968 40.800 -2.239 0.000 1.028 117 D HN -0.627 7.244 8.370 -0.797 0.021 0.493 118 K N -0.687 119.475 120.400 -0.397 0.000 2.025 118 K HA -0.222 4.105 4.320 0.012 0.000 0.207 118 K C 1.651 178.262 176.600 0.018 0.000 1.049 118 K CA 2.522 58.783 56.287 -0.045 0.000 0.933 118 K CB 0.059 32.622 32.500 0.105 0.000 0.714 118 K HN -0.783 7.202 8.250 -0.440 0.000 0.438 119 W N -0.682 120.517 121.300 -0.169 0.000 2.699 119 W HA -0.181 4.431 4.660 -0.081 0.000 0.249 119 W C -0.850 175.604 176.519 -0.107 0.000 1.280 119 W CA 2.314 59.589 57.345 -0.117 0.000 1.345 119 W CB 0.929 30.318 29.460 -0.119 0.000 1.128 119 W HN 0.026 8.119 8.180 0.095 0.145 0.642 120 V N -1.694 118.165 119.914 -0.091 0.000 2.554 120 V HA 0.221 4.216 4.120 -0.208 0.000 0.258 120 V C -1.865 174.196 176.094 -0.056 0.000 0.919 120 V CA -3.458 58.774 62.300 -0.114 0.000 0.910 120 V CB 0.719 32.544 31.823 0.003 0.000 1.100 120 V HN -0.711 7.295 8.190 -0.114 0.116 0.491 121 P HA 0.245 4.721 4.420 -0.006 -0.060 0.231 121 P C 1.073 178.378 177.300 0.007 0.000 1.168 121 P CA 1.166 64.256 63.100 -0.017 0.000 0.779 121 P CB 0.564 32.250 31.700 -0.022 0.000 0.844 122 Q N -0.644 119.132 119.800 -0.040 0.000 2.045 122 Q HA -0.194 4.107 4.340 -0.066 0.000 0.206 122 Q C 1.180 177.135 176.000 -0.075 0.000 0.991 122 Q CA 2.691 58.454 55.803 -0.067 0.000 0.851 122 Q CB -0.485 28.192 28.738 -0.102 0.000 0.911 122 Q HN 0.579 8.760 8.270 -0.070 0.047 0.418 123 V N -1.804 118.062 119.914 -0.079 0.000 2.615 123 V HA 0.015 3.995 4.120 -0.234 0.000 0.308 123 V C -1.474 174.403 176.094 -0.363 0.000 1.257 123 V CA 0.307 62.467 62.300 -0.232 0.000 1.454 123 V CB -2.321 29.288 31.823 -0.357 0.000 1.537 123 V HN -0.271 7.904 8.190 -0.025 0.000 0.566 124 F N -0.242 119.609 119.950 -0.164 0.000 2.288 124 F HA 0.004 4.433 4.527 -0.163 0.000 0.370 124 F C -0.536 175.212 175.800 -0.086 0.000 0.835 124 F CA 0.721 58.625 58.000 -0.160 0.000 1.004 124 F CB 2.641 41.493 39.000 -0.245 0.000 1.111 124 F HN -0.636 7.594 8.300 -0.014 0.062 0.621 125 V N 0.849 120.834 119.914 0.118 0.000 2.599 125 V HA -0.226 3.966 4.120 0.120 0.000 0.300 125 V C -0.709 175.403 176.094 0.031 0.000 1.034 125 V CA 0.628 62.975 62.300 0.078 0.000 1.115 125 V CB 0.325 32.175 31.823 0.045 0.000 0.934 125 V HN -0.489 7.765 8.190 0.107 0.000 0.485 126 A N 7.442 130.284 122.820 0.036 0.000 2.282 126 A HA 0.073 4.398 4.320 0.008 0.000 0.319 126 A C -1.144 176.443 177.584 0.005 0.000 1.121 126 A CA -0.522 51.527 52.037 0.019 0.000 0.836 126 A CB 1.941 20.965 19.000 0.040 0.000 1.146 126 A HN -0.084 8.096 8.150 0.050 0.000 0.494 127 S N 1.403 117.107 115.700 0.006 0.000 2.382 127 S HA 0.094 4.567 4.470 0.004 0.000 0.228 127 S C -1.713 172.893 174.600 0.011 0.000 0.996 127 S CA 0.377 58.579 58.200 0.004 0.000 1.094 127 S CB 1.204 64.402 63.200 -0.003 0.000 1.209 127 S HN -0.049 8.266 8.310 0.008 0.000 0.420 128 G N 2.417 111.228 108.800 0.018 0.000 2.361 128 G HA2 -0.195 3.778 3.960 0.022 0.000 0.331 128 G HA3 -0.195 3.779 3.960 0.023 0.000 0.331 128 G C -2.963 171.956 174.900 0.031 0.000 1.324 128 G CA -0.459 44.655 45.100 0.023 0.000 0.984 128 G HN -0.410 7.892 8.290 0.019 0.000 0.586 129 D N -0.785 119.634 120.400 0.032 0.000 2.283 129 D HA 0.163 4.826 4.640 0.037 0.000 0.248 129 D C -0.007 176.318 176.300 0.042 0.000 1.072 129 D CA 0.149 54.169 54.000 0.034 0.000 0.929 129 D CB 1.625 42.440 40.800 0.025 0.000 1.182 129 D HN 0.039 8.426 8.370 0.029 0.000 0.433 130 c N 1.476 120.103 118.600 0.044 0.000 2.295 130 c HA 0.203 4.903 4.570 0.074 -0.086 0.331 130 c C 0.313 174.425 174.090 0.035 0.000 1.280 130 c CA 0.288 56.652 56.329 0.059 0.000 1.746 130 c CB -0.455 42.097 42.510 0.069 0.000 2.328 130 c HN 0.433 8.687 8.230 0.040 0.000 0.521 131 A N 2.472 125.333 122.820 0.069 0.000 3.629 131 A HA -0.292 4.063 4.320 0.058 0.000 0.224 131 A C -1.686 175.912 177.584 0.024 0.000 1.104 131 A CA 0.926 52.965 52.037 0.003 0.000 1.660 131 A CB -1.086 17.838 19.000 -0.127 0.000 0.911 131 A HN 0.662 8.886 8.150 0.124 0.000 0.805 132 E N -1.189 119.034 120.200 0.038 0.000 2.398 132 E HA -0.156 4.200 4.350 0.012 0.000 0.263 132 E C -0.706 175.928 176.600 0.055 0.000 1.046 132 E CA -0.604 55.815 56.400 0.032 0.000 0.908 132 E CB 0.164 29.881 29.700 0.030 0.000 0.963 132 E HN -0.046 8.265 8.360 0.045 0.075 0.431 133 R N 2.063 122.588 120.500 0.043 0.000 2.346 133 R HA 0.163 4.758 4.340 0.082 -0.205 0.311 133 R C 0.281 176.619 176.300 0.063 0.000 0.983 133 R CA -0.064 56.070 56.100 0.058 0.000 0.880 133 R CB 0.557 30.877 30.300 0.033 0.000 1.100 133 R HN 0.356 8.640 8.270 0.024 0.000 0.453 134 Q N 2.527 122.391 119.800 0.108 0.000 2.126 134 Q HA 0.039 4.438 4.340 0.099 0.000 0.233 134 Q C -1.168 174.990 176.000 0.264 0.000 0.788 134 Q CA 0.070 55.960 55.803 0.145 0.000 0.968 134 Q CB 1.769 30.595 28.738 0.146 0.000 1.163 134 Q HN 0.498 8.846 8.270 0.129 0.000 0.471 135 W N -0.190 121.106 121.300 -0.007 0.000 4.071 135 W HA 0.097 4.738 4.660 -0.032 0.000 0.274 135 W C -3.035 173.493 176.519 0.014 0.000 1.278 135 W CA -0.072 57.257 57.345 -0.028 0.000 1.258 135 W CB 2.900 32.307 29.460 -0.089 0.000 1.236 135 W HN -0.571 7.731 8.180 0.204 0.000 0.530 136 D N 0.547 120.919 120.400 -0.046 0.000 2.552 136 D HA 0.494 5.404 4.640 0.343 -0.064 0.239 136 D C -2.504 173.895 176.300 0.164 0.000 1.139 136 D CA -1.208 52.891 54.000 0.165 0.000 0.914 136 D CB 3.516 44.365 40.800 0.083 0.000 1.461 136 D HN -0.248 7.800 8.370 -0.536 0.000 0.462 137 F N -0.636 119.474 119.950 0.266 0.000 2.495 137 F HA 0.310 4.869 4.527 0.053 0.000 0.327 137 F C 0.237 176.203 175.800 0.277 0.000 1.103 137 F CA -0.825 57.255 58.000 0.132 0.000 0.949 137 F CB 3.239 42.098 39.000 -0.236 0.000 1.142 137 F HN 0.620 9.251 8.300 0.715 0.098 0.457 138 L N 4.321 125.644 121.223 0.166 0.000 4.269 138 L HA -0.444 3.955 4.340 0.098 0.000 0.431 138 L C -0.161 176.848 176.870 0.231 0.000 1.139 138 L CA 0.996 55.989 54.840 0.256 0.000 0.982 138 L CB -0.817 41.537 42.059 0.493 0.000 1.915 138 L HN 0.922 8.955 8.230 -0.327 0.000 1.015 139 G N -5.003 103.894 108.800 0.162 0.000 2.130 139 G HA2 -0.366 3.734 3.960 0.028 0.000 0.216 139 G HA3 -0.366 3.635 3.960 0.069 0.000 0.216 139 G C -0.812 174.168 174.900 0.132 0.000 0.999 139 G CA -0.202 44.955 45.100 0.096 0.000 0.686 139 G HN 0.043 8.332 8.290 0.119 0.073 0.515 140 L N -0.066 121.330 121.223 0.289 0.000 2.365 140 L HA 0.239 4.583 4.340 0.006 0.000 0.273 140 L C -0.978 176.040 176.870 0.247 0.000 1.000 140 L CA -1.212 53.718 54.840 0.151 0.000 0.819 140 L CB 3.046 45.009 42.059 -0.160 0.000 1.284 140 L HN 0.024 8.450 8.230 0.465 0.082 0.418 141 E N 2.272 122.521 120.200 0.081 0.000 2.383 141 E HA -0.065 4.398 4.350 0.188 0.000 0.264 141 E C 1.054 177.773 176.600 0.199 0.000 1.050 141 E CA 0.530 57.014 56.400 0.140 0.000 0.896 141 E CB 0.739 30.490 29.700 0.085 0.000 0.982 141 E HN 0.379 8.731 8.360 -0.012 0.000 0.424 142 M N 5.138 124.895 119.600 0.261 0.000 2.110 142 M HA -0.306 4.447 4.480 0.455 0.000 0.257 142 M C -0.825 175.537 176.300 0.102 0.000 1.071 142 M CA 5.650 61.105 55.300 0.259 0.000 1.096 142 M CB -2.763 29.927 32.600 0.149 0.000 1.300 142 M HN 0.020 8.456 8.290 0.242 0.000 0.411 143 P HA -0.336 3.916 4.420 -0.279 0.000 0.219 143 P C 2.237 179.411 177.300 -0.209 0.000 1.153 143 P CA 3.070 66.020 63.100 -0.250 0.000 0.865 143 P CB -0.676 30.709 31.700 -0.526 0.000 0.788 144 Q N -3.107 116.597 119.800 -0.161 0.000 2.049 144 Q HA -0.268 3.942 4.340 -0.216 0.000 0.198 144 Q C 2.354 178.199 176.000 -0.257 0.000 0.971 144 Q CA 3.210 58.857 55.803 -0.260 0.000 0.833 144 Q CB 0.173 28.674 28.738 -0.395 0.000 0.896 144 Q HN -0.149 7.927 8.270 -0.105 0.131 0.434 145 W N -0.981 120.304 121.300 -0.025 0.000 2.380 145 W HA -0.365 4.290 4.660 -0.009 0.000 0.317 145 W C 2.621 179.122 176.519 -0.030 0.000 1.196 145 W CA 2.452 59.785 57.345 -0.020 0.000 1.307 145 W CB -0.044 29.404 29.460 -0.020 0.000 1.157 145 W HN -0.184 7.880 8.180 -0.053 0.084 0.483 146 L N -2.154 119.184 121.223 0.192 0.000 2.103 146 L HA -0.538 3.882 4.340 0.133 0.000 0.215 146 L C 1.950 178.862 176.870 0.070 0.000 1.080 146 L CA 3.039 57.937 54.840 0.096 0.000 0.764 146 L CB -0.761 41.296 42.059 -0.004 0.000 0.890 146 L HN 0.319 8.673 8.230 0.206 0.000 0.435 147 L N -1.882 119.306 121.223 -0.059 0.000 2.083 147 L HA -0.228 3.974 4.340 -0.231 0.000 0.209 147 L C 1.718 178.643 176.870 0.093 0.000 1.083 147 L CA 2.669 57.457 54.840 -0.087 0.000 0.752 147 L CB -0.912 41.061 42.059 -0.144 0.000 0.899 147 L HN -0.567 7.509 8.230 -0.081 0.105 0.433 148 G N -1.814 107.050 108.800 0.107 0.000 2.442 148 G HA2 -0.361 3.670 3.960 0.118 0.000 0.219 148 G HA3 -0.361 3.730 3.960 0.202 -0.010 0.219 148 G C 1.384 176.399 174.900 0.193 0.000 1.141 148 G CA 2.487 47.680 45.100 0.156 0.000 0.763 148 G HN 0.451 8.649 8.290 0.087 0.144 0.554 149 I N 2.021 122.711 120.570 0.201 0.000 2.286 149 I HA -0.403 3.870 4.170 0.173 0.000 0.245 149 I C 1.347 177.571 176.117 0.178 0.000 1.104 149 I CA 2.955 64.349 61.300 0.157 0.000 1.397 149 I CB 0.030 38.055 38.000 0.042 0.000 1.072 149 I HN -0.963 7.259 8.210 0.201 0.109 0.417 150 F N -0.230 119.699 119.950 -0.034 0.000 2.115 150 F HA -0.476 4.003 4.527 -0.081 0.000 0.300 150 F C 2.247 178.109 175.800 0.104 0.000 1.092 150 F CA 4.663 62.655 58.000 -0.013 0.000 1.245 150 F CB -0.645 38.342 39.000 -0.023 0.000 0.995 150 F HN -0.472 8.074 8.300 0.526 0.069 0.481 151 I N -2.051 118.692 120.570 0.289 0.000 2.179 151 I HA -0.670 3.630 4.170 0.216 0.000 0.242 151 I C 1.619 177.880 176.117 0.240 0.000 1.088 151 I CA 4.075 65.509 61.300 0.224 0.000 1.357 151 I CB -0.498 37.602 38.000 0.167 0.000 1.051 151 I HN -0.345 8.031 8.210 0.286 0.006 0.409 152 A N -0.027 122.948 122.820 0.259 0.000 1.865 152 A HA -0.343 4.105 4.320 0.212 0.000 0.217 152 A C 2.089 179.906 177.584 0.389 0.000 1.191 152 A CA 3.211 55.418 52.037 0.284 0.000 0.623 152 A CB -1.026 18.155 19.000 0.301 0.000 0.826 152 A HN -0.706 7.513 8.150 0.244 0.078 0.444 153 Y N -1.967 118.454 120.300 0.202 0.000 2.207 153 Y HA -0.314 4.554 4.550 0.530 0.000 0.287 153 Y C 2.759 179.044 175.900 0.642 0.000 1.156 153 Y CA 2.539 60.876 58.100 0.393 0.000 1.182 153 Y CB -0.415 38.056 38.460 0.018 0.000 0.979 153 Y HN 0.135 8.769 8.280 0.591 0.000 0.521 154 L N -0.795 120.751 121.223 0.540 0.000 2.191 154 L HA -0.333 4.434 4.340 0.711 0.000 0.212 154 L C 1.340 178.422 176.870 0.354 0.000 1.103 154 L CA 2.889 58.026 54.840 0.496 0.000 0.769 154 L CB -0.222 42.016 42.059 0.299 0.000 0.908 154 L HN 0.078 8.450 8.230 0.403 0.100 0.438 155 I N -1.769 118.955 120.570 0.256 0.000 2.480 155 I HA -0.366 3.874 4.170 0.116 0.000 0.251 155 I C 1.571 177.719 176.117 0.051 0.000 1.124 155 I CA 3.792 65.173 61.300 0.134 0.000 1.444 155 I CB 0.187 38.254 38.000 0.111 0.000 1.098 155 I HN -0.509 7.725 8.210 0.284 0.146 0.428 156 V N -0.295 119.640 119.914 0.036 0.000 2.407 156 V HA -0.457 3.590 4.120 -0.122 0.000 0.248 156 V C 1.208 177.143 176.094 -0.264 0.000 1.055 156 V CA 4.380 66.602 62.300 -0.131 0.000 1.049 156 V CB -0.726 30.979 31.823 -0.197 0.000 0.662 156 V HN -0.333 7.939 8.190 0.137 0.000 0.455 157 A N -0.565 122.018 122.820 -0.394 0.000 1.872 157 A HA -0.340 3.593 4.320 -0.646 0.000 0.214 157 A C 2.005 179.458 177.584 -0.219 0.000 1.187 157 A CA 3.159 54.831 52.037 -0.609 0.000 0.614 157 A CB -0.491 17.733 19.000 -1.293 0.000 0.826 157 A HN -0.577 7.447 8.150 -0.196 0.008 0.442 158 V N -0.678 119.198 119.914 -0.063 0.000 2.407 158 V HA -0.493 3.638 4.120 0.019 0.000 0.248 158 V C 1.981 178.055 176.094 -0.034 0.000 1.055 158 V CA 4.009 66.311 62.300 0.002 0.000 1.049 158 V CB 0.057 31.918 31.823 0.063 0.000 0.662 158 V HN -0.706 7.483 8.190 -0.003 0.000 0.455 159 L N -0.863 120.328 121.223 -0.054 0.000 2.095 159 L HA -0.205 4.102 4.340 -0.054 0.000 0.204 159 L C 1.488 178.308 176.870 -0.084 0.000 1.080 159 L CA 3.307 58.109 54.840 -0.063 0.000 0.759 159 L CB 0.395 42.420 42.059 -0.058 0.000 0.914 159 L HN 0.037 8.119 8.230 -0.055 0.115 0.439 160 V N -2.675 117.171 119.914 -0.114 0.000 2.809 160 V HA -0.316 3.743 4.120 -0.102 0.000 0.256 160 V C 1.341 177.394 176.094 -0.068 0.000 1.080 160 V CA 3.136 65.373 62.300 -0.104 0.000 1.102 160 V CB -0.685 31.062 31.823 -0.125 0.000 0.705 160 V HN -0.047 7.945 8.190 -0.140 0.114 0.475 161 V N -1.328 118.543 119.914 -0.071 0.000 2.346 161 V HA -0.263 3.832 4.120 -0.041 0.000 0.244 161 V C 2.443 178.532 176.094 -0.007 0.000 1.037 161 V CA 3.630 65.911 62.300 -0.032 0.000 1.029 161 V CB 0.339 32.159 31.823 -0.005 0.000 0.663 161 V HN -0.100 7.912 8.190 -0.089 0.124 0.454 162 I N -2.532 118.010 120.570 -0.046 0.000 2.676 162 I HA -0.283 3.813 4.170 -0.122 0.000 0.259 162 I C 0.702 176.767 176.117 -0.088 0.000 1.194 162 I CA 2.420 63.655 61.300 -0.108 0.000 1.473 162 I CB -0.168 37.738 38.000 -0.157 0.000 1.096 162 I HN -0.727 7.451 8.210 -0.053 0.000 0.443 163 S N -3.474 112.193 115.700 -0.055 0.000 2.500 163 S HA -0.192 4.253 4.470 -0.042 0.000 0.239 163 S C -0.358 174.244 174.600 0.004 0.000 0.989 163 S CA 1.336 59.514 58.200 -0.037 0.000 0.951 163 S CB -0.183 62.987 63.200 -0.051 0.000 0.759 163 S HN -0.479 7.658 8.310 -0.057 0.139 0.523 164 Q N 1.168 120.986 119.800 0.031 0.000 2.369 164 Q HA -0.134 4.229 4.340 0.039 0.000 0.295 164 Q C -1.047 175.030 176.000 0.127 0.000 1.075 164 Q CA -0.460 55.389 55.803 0.075 0.000 0.941 164 Q CB -0.712 28.099 28.738 0.122 0.000 1.260 164 Q HN -0.860 7.240 8.270 0.018 0.181 0.417 165 P HA -0.220 4.249 4.420 0.081 0.000 0.219 165 P C -0.498 176.914 177.300 0.187 0.000 1.151 165 P CA 0.965 64.127 63.100 0.103 0.000 0.850 165 P CB -0.005 31.730 31.700 0.060 0.000 0.784 166 F N -3.868 116.089 119.950 0.011 0.000 1.710 166 F HA -0.538 3.997 4.527 0.013 0.000 0.111 166 F C 0.544 176.340 175.800 -0.007 0.000 0.356 166 F CA 1.673 59.676 58.000 0.005 0.000 0.577 166 F CB -0.371 38.629 39.000 0.001 0.000 0.855 166 F HN -0.452 7.959 8.300 0.260 0.045 0.649 167 K N 0.056 120.350 120.400 -0.176 0.000 1.941 167 K HA -0.463 3.811 4.320 -0.077 0.000 0.187 167 K C -1.670 174.719 176.600 -0.352 0.000 1.490 167 K CA 0.883 57.065 56.287 -0.175 0.000 0.446 167 K CB -0.540 31.947 32.500 -0.021 0.000 0.688 167 K HN 0.399 8.780 8.250 0.218 0.000 0.803 168 A N -1.379 121.327 122.820 -0.189 0.000 2.416 168 A HA -0.142 4.110 4.320 -0.114 0.000 0.679 168 A C -1.323 176.155 177.584 -0.177 0.000 0.152 168 A CA 0.909 52.841 52.037 -0.176 0.000 0.074 168 A CB 0.011 18.883 19.000 -0.213 0.000 3.935 168 A HN 0.233 8.315 8.150 -0.114 0.000 0.542 169 K N 3.215 123.548 120.400 -0.112 0.000 2.308 169 K HA -0.095 4.161 4.320 -0.106 0.000 0.197 169 K C 1.439 177.989 176.600 -0.083 0.000 1.049 169 K CA 0.498 56.730 56.287 -0.091 0.000 0.991 169 K CB 0.218 32.684 32.500 -0.055 0.000 0.836 169 K HN 0.260 8.458 8.250 -0.088 0.000 0.500 170 K N 0.250 120.605 120.400 -0.075 0.000 1.994 170 K HA -0.234 4.063 4.320 -0.039 0.000 0.229 170 K C 0.316 176.878 176.600 -0.063 0.000 1.007 170 K CA 1.401 57.655 56.287 -0.055 0.000 1.072 170 K CB -0.115 32.357 32.500 -0.047 0.000 0.735 170 K HN -0.309 7.894 8.250 -0.077 0.000 0.461 171 R N -1.285 119.172 120.500 -0.071 0.000 2.974 171 R HA -0.256 4.054 4.340 -0.049 0.000 0.258 171 R C -1.999 174.299 176.300 -0.003 0.000 0.892 171 R CA -0.175 55.885 56.100 -0.067 0.000 0.664 171 R CB -1.094 29.106 30.300 -0.167 0.000 1.478 171 R HN 0.145 8.372 8.270 -0.071 0.000 0.498 172 D N -1.697 118.717 120.400 0.023 0.000 2.371 172 D HA -0.150 4.509 4.640 0.032 0.000 0.256 172 D C 0.512 176.862 176.300 0.082 0.000 1.193 172 D CA -0.029 53.995 54.000 0.041 0.000 0.881 172 D CB -0.020 40.797 40.800 0.028 0.000 1.143 172 D HN -0.210 8.169 8.370 0.015 0.000 0.473 173 L N 0.201 121.478 121.223 0.091 0.000 0.653 173 L HA -0.364 4.040 4.340 0.107 0.000 0.357 173 L C -2.089 174.918 176.870 0.229 0.000 1.005 173 L CA 0.470 55.379 54.840 0.116 0.000 1.221 173 L CB -0.151 41.949 42.059 0.067 0.000 0.046 173 L HN 0.068 8.340 8.230 0.070 0.000 0.116 174 F N 2.471 122.424 119.950 0.005 0.000 3.348 174 F HA 0.129 4.656 4.527 -0.001 0.000 0.367 174 F C -0.987 174.821 175.800 0.013 0.000 1.214 174 F CA 0.528 58.530 58.000 0.003 0.000 1.323 174 F CB 1.275 40.274 39.000 -0.002 0.000 1.721 174 F HN -0.048 8.354 8.300 0.169 0.000 0.733 175 G N 4.544 113.151 108.800 -0.320 0.000 2.895 175 G HA2 -0.328 3.469 3.960 -0.270 0.000 0.686 175 G HA3 -0.328 3.578 3.960 -0.089 0.000 0.686 175 G C -1.682 173.188 174.900 -0.051 0.000 1.108 175 G CA -0.598 44.390 45.100 -0.186 0.000 0.761 175 G HN -0.035 7.987 8.290 -0.446 0.000 0.611 176 R N 1.796 122.274 120.500 -0.036 0.000 2.577 176 R HA 0.120 4.477 4.340 0.027 0.000 0.269 176 R C 0.189 176.544 176.300 0.091 0.000 1.084 176 R CA -0.401 55.715 56.100 0.027 0.000 1.163 176 R CB 1.010 31.326 30.300 0.027 0.000 1.100 176 R HN -0.010 8.220 8.270 -0.067 0.000 0.547 177 G N -0.353 108.538 108.800 0.151 0.000 2.606 177 G HA2 -0.114 4.027 3.960 0.302 0.000 0.213 177 G HA3 -0.114 4.026 3.960 0.299 0.000 0.213 177 G C -1.087 174.042 174.900 0.383 0.000 2.020 177 G CA 0.463 45.741 45.100 0.297 0.000 0.814 177 G HN 0.532 8.893 8.290 0.119 0.000 0.685 178 H N 0.878 120.005 119.070 0.096 0.000 2.861 178 H HA -0.229 4.299 4.556 -0.048 0.000 0.319 178 H C -1.378 173.997 175.328 0.078 0.000 0.994 178 H CA 0.314 56.375 56.048 0.020 0.000 1.032 178 H CB -1.183 28.595 29.762 0.026 0.000 1.615 178 H HN 0.166 8.526 8.280 0.134 0.000 0.357 179 H N 0.078 119.328 119.070 0.300 0.000 3.514 179 H HA 0.084 4.681 4.556 0.068 0.000 0.268 179 H C -0.713 174.706 175.328 0.151 0.000 1.134 179 H CA -0.522 55.611 56.048 0.140 0.000 1.071 179 H CB -0.185 29.610 29.762 0.056 0.000 2.519 179 H HN -0.243 7.885 8.280 -0.252 0.000 0.792 180 H N 1.944 120.935 119.070 -0.133 0.000 2.529 180 H HA -0.140 4.407 4.556 -0.015 0.000 0.277 180 H C -0.136 175.290 175.328 0.164 0.000 0.999 180 H CA 1.064 57.091 56.048 -0.035 0.000 1.256 180 H CB 0.501 30.200 29.762 -0.105 0.000 1.402 180 H HN 0.125 8.420 8.280 0.026 0.000 0.566 181 H N -1.356 117.869 119.070 0.259 0.000 1.452 181 H HA -0.348 4.348 4.556 0.234 0.000 0.090 181 H C -1.563 173.942 175.328 0.297 0.000 1.290 181 H CA 1.119 57.311 56.048 0.239 0.000 1.901 181 H CB -0.135 29.717 29.762 0.151 0.000 2.257 181 H HN 0.010 8.410 8.280 0.280 0.048 0.961 182 H N -1.377 117.936 119.070 0.404 0.000 3.046 182 H HA 0.219 4.903 4.556 0.214 0.000 0.361 182 H C -0.698 174.692 175.328 0.104 0.000 1.235 182 H CA -0.475 55.705 56.048 0.220 0.000 1.146 182 H CB 1.682 31.559 29.762 0.192 0.000 1.859 182 H HN 0.016 8.598 8.280 0.504 0.000 0.548 183 H N 0.000 118.912 119.070 -0.264 0.000 2.539 183 H HA 0.000 4.511 4.556 -0.075 0.000 0.296 183 H CA 0.000 56.001 56.048 -0.078 0.000 1.023 183 H CB 0.000 29.676 29.762 -0.143 0.000 1.292 183 H HN 0.000 7.808 8.280 -0.786 0.000 0.496